On 05/08/2011 23:43, Andrew Dalke wrote:
> I can't find this mentioned in the documentation so I thought I would
> post it here in case others come across it in the future. Or so that
> people can correct my misunderstanding.
>
> OpenBabel plugin code seems to have changed with 2.3 . If I want
> to use OBFingerprint.FindType("FP2") (or FindFingerprint) then I
> need to call OBConversion() at least once before then to load all
> of the plugins.
This "feature" has been discussed several times on the lists before but
obviously needs to make its way into the documentation. A very long time
ago the plugins were automatically loaded when the library was. but this
caused somebody some difficulty and was removed, mistakenly in hindsight.
> Here's how it works under 2.3.3
>>>> import openbabel as ob
>>>> ob.OBFingerprint.FindType("FP2")
> <openbabel.OBFingerprint; proxy of<Swig Object of type
> 'OpenBabel::OBFingerprint *' at 0x100448a20> >
>
> # As you see, the plugin was found without a problem.
> # As OB 2.3.3 doesn't have OBReleaseVersion(), I'll work around it
I think you mean 2.2.3 not 2.3.3.
As far as I know, the C++ around this did not change significantly
between 2.2.3 and 2.3.0 (or later), so maybe there was some change in
the Python bindings.
Chris
------------------------------------------------------------------------------
BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA
The must-attend event for mobile developers. Connect with experts.
Get tools for creating Super Apps. See the latest technologies.
Sessions, hands-on labs, demos & much more. Register early & save!
http://p.sf.net/sfu/rim-blackberry-1
_______________________________________________
OpenBabel-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
